9NS3

Structure of S. pombe CC-Adding Enzyme in complex with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	59.192, 67.725, 162.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.910 - 2.050
R-factor	0.1948
Rwork	0.193
R-free	0.22950
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.910	2.170
High resolution limit [Å]	2.050	2.050
Number of reflections	41388	33309
<I/σ(I)>	12.12	1.21
Completeness [%]	98.6	99.3
Redundancy	4.88	5.04
CC(1/2)	0.998	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein solution (6.5 mg/ml in 20 mM Tris pH 7.5, 50 mM NaCl) was mixed 1.5:1 with well solution (7% w/v PEG 8000, 100 mM HEPES pH 7.5, 7% v/v ethylene glycol). Cyro condition was well solution with 20% ethylene glycol, 5mM CTP, and 5mM magnesium chloride added